SCHEMBL23729552

SCHEMBL23729552

Cc1cc(C)c2c(c1)N(C)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.45
PARP1 P09874 2/20 0.45
TNKS2 Q9H2K2 2/20 0.45
GAA P10253 2/20 0.41
HRH3 Q9Y5N1 3/20 0.39
UGT2B17 O75795 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
INMT O95050 2/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
DRD2 P14416 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23729550 0.94 HRH3 (0.42) TNKSPARP1TNKS2GAAHRH3
SCHEMBL14585663 0.90 TNKS (0.36) TNKSPARP1TNKS2GAAHRH3
SCHEMBL15338767 0.74 ALDH1A1 (0.40) TNKSPARP1TNKS2GAAHRH3
SCHEMBL5994114 0.73 NOTUM (0.51) GAAALDH1A1MEN1MAPTHPGD
SCHEMBL8276444 0.72 NOTUM (0.50) TNKSPARP1TNKS2GAAALDH1A1
SCHEMBL19908532 0.71 HRH3 (0.37) GAAHRH3ALDH1A1MEN1MAPT
SCHEMBL2616323 0.71 ALDH1A1 (0.60) GAAALDH1A1MEN1MAPTHPGD
SCHEMBL15628980 0.69 ALDH1A1 (0.50) TNKSPARP1TNKS2GAAALDH1A1
SCHEMBL20780397 0.69 HRH3 (0.41) TNKSPARP1TNKS2GAAHRH3
SCHEMBL22306946 0.69 EZH2 (0.34) GAAHRH3UGT2B17ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021155321-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed